SCHEMBL1726771

SCHEMBL1726771

Cc1cc(Nc2nc(N3CCNCC3C)nc3cccn23)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPAST Q9UBP0 1/20 0.47
ROCK1 Q13464 6/20 0.44
ROCK2 O75116 5/20 0.44
JAK2 O60674 5/20 0.44
PAK4 O96013 4/20 0.41
PLK4 O00444 2/20 0.40
SYK P43405 1/20 0.35
AURKA O14965 1/20 0.34
RIPK1 Q13546 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1722352 0.85 JAK2 (0.58) ROCK2JAK2PAK4PLK4AURKA
SCHEMBL1723132 0.78 JAK2 (0.37) JAK2AURKA
SCHEMBL1722368 0.78 JAK2 (0.53) JAK2
SCHEMBL1268774 0.75 PAK4 (0.48) JAK2PAK4PLK4SYKAURKA
SCHEMBL3921001 0.75 ACVR1 (0.42) JAK2SYK
SCHEMBL3922274 0.74 RET (0.41) ROCK2JAK2PAK4PLK4SYK
SCHEMBL1270213 0.73 IGF1R (0.57) JAK2PLK4SYKAURKA
SCHEMBL3926826 0.72 RET (0.40) JAK2PAK4PLK4AURKA
SCHEMBL4213948 0.72 JAK2 (0.37) JAK2PAK4PLK4SYKAURKA
SCHEMBL3924185 0.72 JAK2 (0.37) JAK2PAK4PLK4SYKAURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344504-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-04 EP disclosed
US-8445676-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
EP-2344504-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-07-20 EP disclosed
WO-2010042684-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, CSNK2A1, CSNK2A2 SPAST 4393/4885ROCK1 1858/4885ROCK2 1381/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.